(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone

C12H22N2O2 — CID 115293431

IUPAC(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-2-6-14(7-3-10)11(15)12(13)4-8-16-9-5-12/h10H,2-9,13H2,1H3
InChIKeyRCBVPFBJYDNPFF-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.75
Rot. Bonds1

About (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone

(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 115293431) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID115293431
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2(N)CCOCC2)CC1
InChIInChI=1S/C12H22N2O2/c1-10-2-6-14(7-3-10)11(15)12(13)4-8-16-9-5-12/h10H,2-9,13H2,1H3
InChIKeyRCBVPFBJYDNPFF-UHFFFAOYSA-N
XLogP0.75
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone (CID 115293431) is (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2(N)CCOCC2)CC1.
What is the InChIKey of (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is RCBVPFBJYDNPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-2-6-14(7-3-10)11(15)12(13)4-8-16-9-5-12/h10H,2-9,13H2,1H3.
What are the key properties of (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone?
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 115293431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).